On 05/01/2017 17:52, Luca Pellegrini wrote:
I have created an unnatural amino acid (ua1.pdb, ua1.cif) in JLigand, I have
added it to
my structure and fitted it into the density. Now how do I tell Coot, when I
regularise
the local structure, to keep the peptide bond stereochemistry with the
preceding and
following amino acids?
The way I would do this is
1) read in the ua1.cif dictionary file
2) Extensions -> Modelling-> Replace Residue
To answer your question though:
You don't need to do anything special. Just make sure that you the group field is true (in
this case "peptide").
Paul.
